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CAS 501698-31-3 1,3,4-Thiadiazole-2-carboxylicacid,5-methyl-(9CI) molecular structure lightbox
CAS RN: 501698-31-3

1,3,4-Thiadiazole-2-carboxylicacid,5-methyl-(9CI)

  • Product code: SSC-156575
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 501698-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

501698-31-3 / 5-methyl-1,3,4-thiadiazole-2-carboxylic acid

Standard CAS: 501698-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501698-31-3
Multi CAS
No
Molecular Formula
C4H4N2O2S
Molecular Weight
144.150000
Exact Mass
143.999349
InChI
InChI=1S/C4H4N2O2S/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8)
InChIKey
JQLASBNYQPPBCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
31.61
TPSA
63.08

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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